N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide

C10H14N4O — CID 169465232

IUPACN-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
SMILESCNc1ncc(C=CCNC(C)=O)cn1
InChIInChI=1S/C10H14N4O/c1-8(15)12-5-3-4-9-6-13-10(11-2)14-7-9/h3-4,6-7H,5H2,1-2H3,(H,12,15)(H,11,13,14)
InChIKeyUZWNTBOZXXKOCI-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.67
Rot. Bonds4

About N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide

N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide (PubChem CID 169465232) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
PubChem CID169465232
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC NameN-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
SMILESCNc1ncc(C=CCNC(C)=O)cn1
InChIInChI=1S/C10H14N4O/c1-8(15)12-5-3-4-9-6-13-10(11-2)14-7-9/h3-4,6-7H,5H2,1-2H3,(H,12,15)(H,11,13,14)
InChIKeyUZWNTBOZXXKOCI-UHFFFAOYSA-N
XLogP0.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169465561
S-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl] ethanethioate
CID 169456990
4-[2-(methylamino)pyrimidin-5-yl]but-3-enamide
CID 170797688
3-[2-(methylamino)pyrimidin-5-yl]prop-2-enoic acid
CID 53395808
N-[3-(5-hydroxy-2-pyridinyl)prop-2-enyl]acetamide
CID 169464931
N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide
CID 169465538
N-[3-(2-cyano-4-pyridinyl)prop-2-enyl]acetamide
CID 169465102
5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid
CID 169465798
N-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide
CID 169464909
N-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide
CID 169466482
N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]acetamide
CID 169465580
N-[3-(5-fluoro-2-pyridinyl)prop-2-enyl]acetamide
CID 169464899

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide?
The IUPAC name of N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide (CID 169465232) is N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide?
The canonical SMILES for N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide is CNc1ncc(C=CCNC(C)=O)cn1.
What is the InChIKey of N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide?
The InChIKey is UZWNTBOZXXKOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-8(15)12-5-3-4-9-6-13-10(11-2)14-7-9/h3-4,6-7H,5H2,1-2H3,(H,12,15)(H,11,13,14).
What are the key properties of N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide?
N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide has a molecular weight of 206.25 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide is sourced from PubChem (CID 169465232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).